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Information card for entry 7032852
Preview
| Coordinates | 7032852.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H18 Cu N2 O5 |
|---|---|
| Calculated formula | C17 H18 Cu N2 O5 |
| SMILES | [Cu]12(OC(=O)C)OC(=O)[C@@H]([NH]1Cc1[n]2cccc1)Cc1ccccc1.O |
| Title of publication | Amino acid derived CuII compounds as catalysts for asymmetric oxidative coupling of 2-naphthol. |
| Authors of publication | Adão, Pedro; Barroso, Sónia; Carvalho, M Fernanda N N; Teixeira, Carlos M.; Kuznetsov, Maxim L.; Pessoa, João Costa |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 4 |
| Pages of publication | 1612 - 1626 |
| a | 9.312 ± 0.0004 Å |
| b | 16.405 ± 0.0008 Å |
| c | 24.142 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3688 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0709 |
| Residual factor for significantly intense reflections | 0.0631 |
| Weighted residual factors for significantly intense reflections | 0.1607 |
| Weighted residual factors for all reflections included in the refinement | 0.1646 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180034 (current) | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/28. |
7032852.cif |
| 133263 | 2015-03-06 | cif/ Updating files of 7032851, 7032852, 7032853 Original log message: Adding full bibliography for 7032851--7032853.cif. |
7032852.cif |
| 125576 | 2014-10-21 | cif/ Adding structures of 7032851, 7032852, 7032853 via cif-deposit CGI script. |
7032852.cif |
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Users of the data should acknowledge the original authors of the
structural data.